BeSO4
Beryllium sulfate · sulfuric acid beryllium salt
Beryllium sulfate is a stable, insulating chemical compound used as a precursor in industrial and laboratory synthesis.
About Beryllium sulfate
Beryllium sulfate is a stable inorganic compound that exists as a wide-band-gap insulator. Its structural versatility is highlighted by its presence in multiple distinct crystallographic forms across scientific databases, reflecting its complex coordination chemistry.
This material is primarily valued for its role in specialized chemical synthesis and as a precursor in the production of other beryllium-containing materials. Its stability makes it a reliable subject for fundamental studies in solid-state chemistry and materials science.
Key Properties
Cross-validated computational properties for Beryllium sulfate, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BeSO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BeSO4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 7.34 | 0.0000 | -2.158 | — |
| I-4 (No. 82) | tetragonal | 7.30 | 0.0000 | -1.927 | — |
| I-4 (No. 82) | tetragonal | 6.94 | 0.0000 | -6.914 | 2.50 |
| I-4 (No. 82) | tetragonal | — | — | — | 2.51 |
| I-4 (No. 82) | tetragonal | — | — | — | 2.37 |
| I-4 (No. 82) | tetragonal | — | — | — | 2.41 |
| I-4 (No. 82) | tetragonal | — | — | — | 2.50 |
Applications
Where Beryllium sulfate is used.
Frequently Asked Questions
Common questions about Beryllium sulfate, answered from cross-validated data.
What is BeSO4?
Beryllium sulfate is a stable, insulating chemical compound used as a precursor in industrial and laboratory synthesis.
What is BeSO4 used for?
What is the band gap of BeSO4?
Is BeSO4 a metal, semiconductor, or insulator?
Is BeSO4 thermodynamically stable?
What is the crystal structure of BeSO4?
How many polymorphs of BeSO4 are known?
What elements does BeSO4 contain?
Where does the data for BeSO4 come from?
How It Compares
As a stable sulfate compound, this material serves as a foundational example of beryllium-based inorganic chemistry, providing a baseline for understanding the structural behavior and insulating properties of metal sulfates in this class.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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